N-(cyclooctylmethyl)-N-[(2R)-1-(diethylamino)-4-methylsulfanyl-butan-2-yl]-5-[(2-oxidanylidene-1H-quinolin-6-yl)oxy]pentanamide

Systemtic Name: N-(cyclooctylmethyl)-N-[(2R)-1-(diethylamino)-4-methylsulfanyl-butan-2-yl]-5-[(2-oxidanylidene-1H-quinolin-6-yl)oxy]pentanamide Openeye Name: N-(cyclooctylmethyl)-N-[(1R)-1-(diethylaminomethyl)-3-methylsulfanyl-propyl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide CAS Name: N-(cyclooctylmethyl)-N-[(2R)-1-(diethylamino)-4-(methylthio)butan-2-yl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide IUPAC Name: N-(cyclooctylmethyl)-N-[(2R)-1-(diethylamino)-4-methylsulfanylbutan-2-yl]-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanamide Traditional Name: N-(cyclooctylmethyl)-N-[(1R)-1-(diethylaminomethyl)-3-(methylthio)propyl]-5-[(2-keto-1H-quinolin-6-yl)oxy]valeramide Formula: C32H51N3O3S MolecularWeight: 557.83064

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CCSC)N(CC1CCCCCCC1)C(=O)CCCCOC2=CC3=C(C=C2)NC(=O)C=C3

Isomeric SMILES

CCN(CC)C[C@@H](CCSC)N(CC1CCCCCCC1)C(=O)CCCCOC2=CC3=C(C=C2)NC(=O)C=C3

InChI

InChI=1S/C32H51N3O3S/c1-4-34(5-2)25-28(20-22-39-3)35(24-26-13-9-7-6-8-10-14-26)32(37)15-11-12-21-38-29-17-18-30-27(23-29)16-19-31(36)33-30/h16-19,23,26,28H,4-15,20-22,24-25H2,1-3H3,(H,33,36)/t28-/m1/s1